835333

Source:http://linkedlifedata.com/resource/chembl/compound/835333

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H11F3N6O3/c18-17(19,20)11-6-7-12-13(8-11)26(25-22-12)28-9-14(27)21-16-24-23-15(29-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,24,27)
chemicalCompound:standardIn...	PXUVSTZNUGUXBX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)c1ccc2nnn(OCC(=O)Nc3oc(nn3)c4ccccc4)c2c1
chemicalCompound:molecularF...	C17H11F3N6O3
chemicalCompound:moleculeId	835333
chemicalCompound:mwFreebase	404.303
chemicalCompound:alogp	0.676
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	107.96
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.491
chemicalCompound:acdLogP	4.431
chemicalCompound:acdLogD	4.426
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.303
chemicalCompound:chemblId	CHEMBL1411449
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:935333
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3634201, activity:3642105, activity:3723236, activity:3748585, activity:3769286, activity:4002975, activity:4089758, activity:4462783, activity:4542985, activity:4613481, activity:4840122, activity:4845657, activity:4885637, activity:4970864, activity:5424819, activity:5858213, activity:6572259, activity:6633583, activity:6978213, activity:7208797, activity:7303746